benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

C18H19NO3 — CID 169471204

IUPACbenzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1CO)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-13-17-10-5-4-9-16(17)11-6-12-19-18(21)22-14-15-7-2-1-3-8-15/h1-11,20H,12-14H2,(H,19,21)
InChIKeyLGBMPTXQUIBHFQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.12
Rot. Bonds6

About benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169471204) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169471204
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1CO)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-13-17-10-5-4-9-16(17)11-6-12-19-18(21)22-14-15-7-2-1-3-8-15/h1-11,20H,12-14H2,(H,19,21)
InChIKeyLGBMPTXQUIBHFQ-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
benzyl N-[3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471497
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
CID 169472312
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (CID 169471204) is benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccccc1CO)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is LGBMPTXQUIBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-13-17-10-5-4-9-16(17)11-6-12-19-18(21)22-14-15-7-2-1-3-8-15/h1-11,20H,12-14H2,(H,19,21).
What are the key properties of benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).